(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol

C16H25NO2 — CID 144623402

IUPAC(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
SMILESCCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O
InChIInChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1
InChIKeyJCUBQZVONPGRDW-WMEQCIOUSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds3

About (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol

(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol (PubChem CID 144623402) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
PubChem CID144623402
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
SMILESCCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O
InChIInChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1
InChIKeyJCUBQZVONPGRDW-WMEQCIOUSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995834

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The IUPAC name of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol (CID 144623402) is (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol.
What is the SMILES notation for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The canonical SMILES for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol is CCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O.
What is the InChIKey of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The InChIKey is JCUBQZVONPGRDW-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 144623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).